2-acetylbenzonitrile

2-acetylbenzonitrile

CAS: 91054-33-0

Formula: C9H7NO

SMILES: CC(=O)C1=CC=CC=C1C#N

IUPAC: 2-acetylbenzonitrile

InChI: InChI=1S/C9H7NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5H,1H3

Composition: C (74.47%), H (4.86%), N (9.65%), O (11.02%)

Molar Mass: 145.161

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	145.052763849
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UZSGWJQJDLCCFN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.18
Topological Polar Surface Area	40.86
Polarizability	15.89
Ring Count	1
Rotatable Bond Count	1

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	91054-33-0		$55.20-$883.20$55.20$220.80$883.20